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Chemical ID: 7256086
Chemical ID:
7256086
Name [?]:
3-dimethylamino-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILES [?]:
CC(c1ccc(cc1)F)NC(=O)c2cccc(c2)N(C)C
InChi [?]:
InChI=1/C17H19FN2O/c1-12(13-7-9-15(18)10-8-13)19-17(21)14-5-4-6-16(11-14)20(2)3/h4-12H,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,15,14,16,4,8,5,7,18,2,3,13,6,17,11,9,10,19,12/E:(2,3)(7,8)(9,10)/rA:21cCCCCCCCCFNCOCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19FN2O |
All Atoms: | 40 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.26326 |
Area: | 493.83 |
Solvation: | -3.08248 |
Coulombic: | -33.5286 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 286.344 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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